chempirical

Rhodamine 110

C20H15ClN2O3CAS 13558-31-1366.80 g/mol

Open in Covalent MOL file
HClH2NOO−NH2O+
Carboxylic acidPrimary amine

Properties

Molecular formula
C20H15ClN2O3
Molar mass
366.80 g/mol
Exact mass
366.0771 Da
logP
3.48Crippen estimate
Polar surface area
103.5 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
2

Identifiers

CAS number
13558-31-1
SMILES
Cl.Nc1ccc2c(-c3ccccc3C(=O)[O-])c3ccc(N)cc3[o+]c2c1
InChIKey
MYIOYATURDILJN-UHFFFAOYSA-N
InChI
InChI=1S/C20H14N2O3.ClH/c21-11-5-7-15-17(9-11)25-18-10-12(22)6-8-16(18)19(15)13-3-1-2-4-14(13)20(23)24;/h1-10H,21-22H2;1H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

9 names
  • Xanthylium, 3,6-diamino-9-(2-carboxyphenyl)-, chloride (1:1)
  • Benzoic acid, 2-(6-amino-3-imino-3H-xanthen-9-yl)-, monohydrochloride
  • Benzoic acid, o-(6-amino-3-imino-3H-xanthen-9-yl)-, monohydrochloride
  • Xanthylium, 3,6-diamino-9-(2-carboxyphenyl)-, chloride
  • Rhodamine 560
  • Rhodamine N
  • RH 110
  • R 110
  • Rhodamine 110 chloride

Work with Rhodamine 110

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Rhodamine B81-88-963 % similar Rhodamine 12362669-70-957 % similar 2-Amino-9H-fluoren-9-one3096-57-942 % similar 6-Carboxytetramethylrhodamine91809-67-541 % similar Calcium P-aminosalicylate133-15-339 % similar Sodium P-aminosalicylate133-10-838 % similar 6-Carboxytetramethylrhodamine N-succinimidyl ester150810-69-837 % similar 2-Aminoanthraquinone117-79-335 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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